3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide

C15H19ClN4O — CID 125141654

IUPAC3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide
SMILESC[C@H](Cc1cccc(Cl)c1)Nc1ccn(CCC(N)=O)n1
InChIInChI=1S/C15H19ClN4O/c1-11(9-12-3-2-4-13(16)10-12)18-15-6-8-20(19-15)7-5-14(17)21/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,21)(H,18,19)/t11-/m1/s1
InChIKeyTYEFTXBVOHCMNA-LLVKDONJSA-N
MW306.80 g/mol
LogP2.45
Rot. Bonds7

About 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide

3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide (PubChem CID 125141654) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide
PubChem CID125141654
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide
SMILESC[C@H](Cc1cccc(Cl)c1)Nc1ccn(CCC(N)=O)n1
InChIInChI=1S/C15H19ClN4O/c1-11(9-12-3-2-4-13(16)10-12)18-15-6-8-20(19-15)7-5-14(17)21/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,21)(H,18,19)/t11-/m1/s1
InChIKeyTYEFTXBVOHCMNA-LLVKDONJSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
CID 115885206
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
CID 119328467
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950189
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51950190
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
N-[1-(3-chlorophenyl)propan-2-yl]-2-methylpropan-2-amine;3-methoxypropanoic acid
CID 143691612
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide (CID 125141654) is 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide is C[C@H](Cc1cccc(Cl)c1)Nc1ccn(CCC(N)=O)n1.
What is the InChIKey of 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide?
The InChIKey is TYEFTXBVOHCMNA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11(9-12-3-2-4-13(16)10-12)18-15-6-8-20(19-15)7-5-14(17)21/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,21)(H,18,19)/t11-/m1/s1.
What are the key properties of 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide?
3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide has a molecular weight of 306.80 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 125141654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).